tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate

C16H33NO3Si — CID 10979991

IUPACtert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate
SMILESC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H33NO3Si/c1-12-10-13(20-21(8,9)16(5,6)7)11-17(12)14(18)19-15(2,3)4/h12-13H,10-11H2,1-9H3/t12-,13-/m1/s1
InChIKeyJGNJIYFCLURCAR-CHWSQXEVSA-N
MW315.53 g/mol
LogP4.41
Rot. Bonds2

About tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate

tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate (PubChem CID 10979991) has the molecular formula C16H33NO3Si and a molecular weight of 315.53 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate
PubChem CID10979991
Molecular FormulaC16H33NO3Si
Molecular Weight315.53 g/mol
Exact Mass315.22
IUPAC Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate
SMILESC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H33NO3Si/c1-12-10-13(20-21(8,9)16(5,6)7)11-17(12)14(18)19-15(2,3)4/h12-13H,10-11H2,1-9H3/t12-,13-/m1/s1
InChIKeyJGNJIYFCLURCAR-CHWSQXEVSA-N
XLogP4.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S,4R)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 11078078
tert-butyl (2R,4S)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66962096
1,1-Dimethylethyl (2R,3S)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-(hydroxymethyl)-1-pyrrolidinecarboxylate
CID 10925602
(2R,3R)-3-(tert-Butyldimethylsilanyloxy)-2-hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester
CID 11012982
(2R,3S)-tert-butyl 2-((tert-butyldimethylsilyloxy)methyl)-3-hydroxypyrrolidine-1-carboxylate
CID 14462925
tert-butyl (2R,4R)-2-(3-azido-2-fluoropropyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 53745625
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-fluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]pyrrolidine-1-carboxylate
CID 53869723
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
CID 156774276
(2S,3R)-N-(t-Butyloxycarbonyl)-2-methyl-3-(triisopropyl)piperidine
CID 11025097
bromo-[[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]mercury
CID 14492003
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 101247389
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate
CID 134836448

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate (CID 10979991) is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate is C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate?
The InChIKey is JGNJIYFCLURCAR-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H33NO3Si/c1-12-10-13(20-21(8,9)16(5,6)7)11-17(12)14(18)19-15(2,3)4/h12-13H,10-11H2,1-9H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate has a molecular weight of 315.53 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 10979991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).